1-[(E)-2-methylbut-1-enyl]adamantane

C15H24 — CID 11138216

IUPAC1-[(E)-2-methylbut-1-enyl]adamantane
SMILESCC/C(C)=C/C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24/c1-3-11(2)7-15-8-12-4-13(9-15)6-14(5-12)10-15/h7,12-14H,3-6,8-10H2,1-2H3/b11-7+
InChIKeyCGESCRIQYWHPDU-YRNVUSSQSA-N
MW204.36 g/mol
LogP4.56
Rot. Bonds2

About 1-[(E)-2-methylbut-1-enyl]adamantane

1-[(E)-2-methylbut-1-enyl]adamantane (PubChem CID 11138216) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-[(E)-2-methylbut-1-enyl]adamantane.

Molecular Properties

Compound Name1-[(E)-2-methylbut-1-enyl]adamantane
PubChem CID11138216
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-[(E)-2-methylbut-1-enyl]adamantane
SMILESCC/C(C)=C/C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24/c1-3-11(2)7-15-8-12-4-13(9-15)6-14(5-12)10-15/h7,12-14H,3-6,8-10H2,1-2H3/b11-7+
InChIKeyCGESCRIQYWHPDU-YRNVUSSQSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methylbut-1-enyl]adamantane?
The IUPAC name of 1-[(E)-2-methylbut-1-enyl]adamantane (CID 11138216) is 1-[(E)-2-methylbut-1-enyl]adamantane.
What is the SMILES notation for 1-[(E)-2-methylbut-1-enyl]adamantane?
The canonical SMILES for 1-[(E)-2-methylbut-1-enyl]adamantane is CC/C(C)=C/C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[(E)-2-methylbut-1-enyl]adamantane?
The InChIKey is CGESCRIQYWHPDU-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H24/c1-3-11(2)7-15-8-12-4-13(9-15)6-14(5-12)10-15/h7,12-14H,3-6,8-10H2,1-2H3/b11-7+.
What are the key properties of 1-[(E)-2-methylbut-1-enyl]adamantane?
1-[(E)-2-methylbut-1-enyl]adamantane has a molecular weight of 204.36 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methylbut-1-enyl]adamantane is sourced from PubChem (CID 11138216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).